N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C17H28ClN5O2 — CID 120937008

IUPACN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)(C)N1CC(NC(=O)C2(n3cccn3)CCNCC2)CC1=O.Cl
InChIInChI=1S/C17H27N5O2.ClH/c1-16(2,3)21-12-13(11-14(21)23)20-15(24)17(5-8-18-9-6-17)22-10-4-7-19-22;/h4,7,10,13,18H,5-6,8-9,11-12H2,1-3H3,(H,20,24);1H
InChIKeyVAVNOBAXKXESIF-UHFFFAOYSA-N
MW369.90 g/mol
LogP0.90
Rot. Bonds3

About N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120937008) has the molecular formula C17H28ClN5O2 and a molecular weight of 369.90 g/mol. Its IUPAC name is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120937008
Molecular FormulaC17H28ClN5O2
Molecular Weight369.90 g/mol
Exact Mass369.19
IUPAC NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCC(C)(C)N1CC(NC(=O)C2(n3cccn3)CCNCC2)CC1=O.Cl
InChIInChI=1S/C17H27N5O2.ClH/c1-16(2,3)21-12-13(11-14(21)23)20-15(24)17(5-8-18-9-6-17)22-10-4-7-19-22;/h4,7,10,13,18H,5-6,8-9,11-12H2,1-3H3,(H,20,24);1H
InChIKeyVAVNOBAXKXESIF-UHFFFAOYSA-N
XLogP0.90
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940159
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920206
4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 120939658
N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120941761
N-(3-methylsulfanylcyclohexyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120934039
N-(1-tert-butylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120928511
methyl 2-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]acetate;hydrochloride
CID 120924676
N-(5-tert-butyl-1,3-thiazol-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930905
N-[1-(2-methoxyethyl)piperidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939906
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931395
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120939665
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120937008) is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CC(C)(C)N1CC(NC(=O)C2(n3cccn3)CCNCC2)CC1=O.Cl.
What is the InChIKey of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is VAVNOBAXKXESIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2.ClH/c1-16(2,3)21-12-13(11-14(21)23)20-15(24)17(5-8-18-9-6-17)22-10-4-7-19-22;/h4,7,10,13,18H,5-6,8-9,11-12H2,1-3H3,(H,20,24);1H.
What are the key properties of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 369.90 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120937008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).